Non-equilibrium molecular dynamics simulation study of heat transport in hexahydro-1,3,5-trinitro-s-triazine (RDX)

DOI10.1016/J.IJHEATMASSTRANSFER.2011.06.040zbMath1231.82053OpenAlexW1997852877MaRDI QIDQ656770

Betsy M. Rice, Sergei Izvekov, Peter W. Chung

Publication date: 13 January 2012

Published in: International Journal of Heat and Mass Transfer (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.ijheatmasstransfer.2011.06.040

zbMATH Keywords

molecular dynamics simulationthermal conductivityexplosiveatomic force field

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20) Irreversible thermodynamics, including Onsager-Machlup theory (82C35)

Uses Software

• DL_POLY

Cites Work

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• Thermal conductivity decomposition and analysis using molecular dynamics simulations. I: Lennard-Jones argon
• Thermal conductivity decomposition and analysis using molecular dynamics simulations. II: Complex silica structures
• Thermal conductivity of metal-organic framework 5 (MOF-5). I: Molecular dynamics simulations
• Model for Lattice Thermal Conductivity at Low Temperatures
• DL_POLY: Application to molecular simulation

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